1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine

C16H27N3O — CID 115939347

IUPAC1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(N2CCOCC2(C)C)cn1
InChIInChI=1S/C16H27N3O/c1-5-14(17-6-2)15-8-7-13(11-18-15)19-9-10-20-12-16(19,3)4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3
InChIKeyAOXWHMHQBQCOIY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds5

About 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine

1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine (PubChem CID 115939347) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine
PubChem CID115939347
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(N2CCOCC2(C)C)cn1
InChIInChI=1S/C16H27N3O/c1-5-14(17-6-2)15-8-7-13(11-18-15)19-9-10-20-12-16(19,3)4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3
InChIKeyAOXWHMHQBQCOIY-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 112584190
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102958934
N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine
CID 115939561
N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
CID 115939614
N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939650
N-ethyl-1-[5-(5-ethyl-2-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 115939344
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
4-[4-(chloromethyl)phenyl]-3,3-dimethylmorpholine
CID 61432795
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
CID 115944749
(1R)-1-[4-(3,3-dimethylmorpholin-4-yl)phenyl]ethanamine
CID 78934940
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine (CID 115939347) is 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(N2CCOCC2(C)C)cn1.
What is the InChIKey of 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine?
The InChIKey is AOXWHMHQBQCOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-14(17-6-2)15-8-7-13(11-18-15)19-9-10-20-12-16(19,3)4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine?
1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 115939347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).